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v2.3.0

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@bpuchala bpuchala released this 08 Sep 16:14
· 32 commits to main since this release
v2.3.0
06df58e

[2.3.0] - 2025-09-05

Changed

  • Changed clexmonte::make_prim_event_list to include an option to convert OccPosition in OccEvent that are defined in terms of molecule positions to OccPosition defined as atom positions. In the "kinetic" MonteCalculator OccEvent must be defined in terms of atom positions to properly collect the number of jumps of each atom. The new option is used when constructing the prim_event_list for the CompleteKineticEventData and AllowedKineticEventData so that OccEvent used in the System definition can be defined with either type of OccPosition (if single atom molecules).
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